2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide

C13H18ClN3O3 — CID 114318401

IUPAC2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cccc(Cl)c1CN
InChIInChI=1S/C13H18ClN3O3/c1-3-16-13(19)17-12(18)8(2)20-11-6-4-5-10(14)9(11)7-15/h4-6,8H,3,7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyRGTXCUNNEMBWGO-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.41
Rot. Bonds5

About 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide

2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide (PubChem CID 114318401) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide
PubChem CID114318401
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cccc(Cl)c1CN
InChIInChI=1S/C13H18ClN3O3/c1-3-16-13(19)17-12(18)8(2)20-11-6-4-5-10(14)9(11)7-15/h4-6,8H,3,7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyRGTXCUNNEMBWGO-UHFFFAOYSA-N
XLogP1.41
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
2-[2-(aminomethyl)-3-chlorophenoxy]-N-butylpropanamide
CID 114318420
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-ethylpropanamide
CID 113277086
2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide
CID 43438016
N-(ethylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625657
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 115956282
2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 43115860
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 114319148
2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide
CID 107655961
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
CID 114321561
2-[2-(2-aminobutyl)-3-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 114322096
(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7815932

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide (CID 114318401) is 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Oc1cccc(Cl)c1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide?
The InChIKey is RGTXCUNNEMBWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-3-16-13(19)17-12(18)8(2)20-11-6-4-5-10(14)9(11)7-15/h4-6,8H,3,7,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide?
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide has a molecular weight of 299.76 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 114318401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).